N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

C14H9Cl2NO2S — CID 79693097

IUPACN-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1csc(C#CCO)c1
InChIInChI=1S/C14H9Cl2NO2S/c15-12-4-3-10(7-13(12)16)17-14(19)9-6-11(20-8-9)2-1-5-18/h3-4,6-8,18H,5H2,(H,17,19)
InChIKeyUHCFCUMGAYZZEE-UHFFFAOYSA-N
MW326.20 g/mol
LogP3.65
Rot. Bonds2

About N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide

N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (PubChem CID 79693097) has the molecular formula C14H9Cl2NO2S and a molecular weight of 326.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
PubChem CID79693097
Molecular FormulaC14H9Cl2NO2S
Molecular Weight326.20 g/mol
Exact Mass324.97
IUPAC NameN-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1csc(C#CCO)c1
InChIInChI=1S/C14H9Cl2NO2S/c15-12-4-3-10(7-13(12)16)17-14(19)9-6-11(20-8-9)2-1-5-18/h3-4,6-8,18H,5H2,(H,17,19)
InChIKeyUHCFCUMGAYZZEE-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79695922
N-(4-fluorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696600
N-(2,3-dihydro-1H-inden-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79692409
5-(3-hydroxyprop-1-ynyl)-N-pyrimidin-5-ylthiophene-3-carboxamide
CID 107589617
N-(1,3-benzodioxol-5-yl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79692605
5-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylphenyl)thiophene-3-carboxamide
CID 79693003
N-(5-chloro-2-pyridinyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79696754
5-(3-aminoprop-1-ynyl)-N-(3,4-difluorophenyl)thiophene-3-carboxamide
CID 79696592
5-(3-aminoprop-1-ynyl)-N-(3,4-dimethylphenyl)thiophene-3-carboxamide
CID 79695981
5-(3-hydroxyprop-1-ynyl)-N-(2,3,4-trifluorophenyl)thiophene-3-carboxamide
CID 79692399
5-(3-hydroxyprop-1-ynyl)-N-(1H-imidazol-2-yl)thiophene-3-carboxamide
CID 79696851
N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79690067

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide (CID 79693097) is N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1csc(C#CCO)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
The InChIKey is UHCFCUMGAYZZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NO2S/c15-12-4-3-10(7-13(12)16)17-14(19)9-6-11(20-8-9)2-1-5-18/h3-4,6-8,18H,5H2,(H,17,19).
What are the key properties of N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide?
N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide has a molecular weight of 326.20 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide is sourced from PubChem (CID 79693097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).